SpectraBase Spectrum ID |
Ha4Mofvnhuc |
Name |
Acetamide, 2-bromo-N-(2-pentyl)-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
459.307578233 u |
Formula |
C25H50BrNO |
InChI |
InChI=1S/C25H50BrNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(25(28)23-26)24(3)21-5-2/h24H,4-23H2,1-3H3 |
InChIKey |
RKLGEJYHLYWDON-UHFFFAOYSA-N |
Molecular Weight |
460.585 g/mol |
SMILES |
C(N(C(CCC)C)C(=O)CBr)CCCCCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902568 |